SCHEMBL1155088

SCHEMBL1155088

CN(C)CCN(CC1CCN(C(=O)OCc2ccccc2)C1)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.51
JAK1 P23458 1/20 0.51
USP30 Q70CQ3 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HTT P42858 1/20 0.47
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
CYP2C19 P33261 1/20 0.46
GRIN2B Q13224 4/20 0.45
YAP1 P46937 2/20 0.45
GPR119 Q8TDV5 2/20 0.44
STS P08842 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
LIMK2 P53671 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30706089 0.83 SMN1; SMN2 (0.56) JAK2JAK1SMN1; SMN2NPC1RAB9A
SCHEMBL23249889 0.83 SMN1; SMN2 (0.58) JAK2JAK1USP30SMN1; SMN2NPC1
SCHEMBL19123127 0.82 JAK2 (0.53) JAK2JAK1USP30SMN1; SMN2NPC1
SCHEMBL27141260 0.82 JAK2 (0.51) JAK2JAK1USP30SMN1; SMN2NPC1
SCHEMBL31697910 0.82 SMN1; SMN2 (0.52) JAK2JAK1SMN1; SMN2NPC1RAB9A
SCHEMBL27140943 0.82 SMN1; SMN2 (0.52) JAK2JAK1SMN1; SMN2NPC1RAB9A
SCHEMBL18921640 0.81 SMN1; SMN2 (0.56) JAK2JAK1SMN1; SMN2NPC1RAB9A
SCHEMBL30602886 0.81 SMN1; SMN2 (0.53) JAK2JAK1SMN1; SMN2NPC1RAB9A
SCHEMBL30179036 0.81 SMN1; SMN2 (0.53) JAK2JAK1SMN1; SMN2NPC1RAB9A
SCHEMBL26705305 0.81 SMN1; SMN2 (0.53) JAK2JAK1SMN1; SMN2NPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7884099-B2 such as (R)-5'-[3-{1-(4-{1-[1-(3-Carboxy-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-4H-quinolizine-8-yl)-pyrrolidin-3-yl-cyclopropyl]-methylamino}-piperidin-1-yl]-3'-hydroxy-benzoxazinorifamycin, useful as bactericides for the treatment of bacterial infections CUMBRE IP VENTURES, L.P. (US) 2011-02-08 US disclosed
US-20090143373-A1 QUINOLONE CARBOXYLIC ACID-SUBSTITUTED RIFAMYCIN DERIVATIVES CUMBRE PHARMACEUTICALS INC. (US) 2009-06-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090143373-A1 QUINOLONE CARBOXYLIC ACID-SUBSTITUTED RIFAMYCIN DERIVATIVES NQO2, SDHA, QPCT JAK2 3748/4885JAK1 4304/4885USP30 3996/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.